SCHEMBL4054906

SCHEMBL4054906

COCCn1cc(N2CCCCC2)c2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
GSK3B P49841 4/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CCNB2 O95067 1/20 0.40
PRKCB P05771 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
RPS6KA3 P51812 1/20 0.40
CCNA1 P78396 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4054311 0.88 CNR1 (0.38) CNR1CNR2GSK3BNPSR1KDM4E
SCHEMBL4054110 0.84 CNR2 (0.45) CNR1CNR2GSK3BPRKCBKDM4E
SCHEMBL4052413 0.76 CFTR (0.44) CNR1CNR2NPSR1KDM4ETSHR
SCHEMBL4054387 0.76 DRD4 (0.39) POLBKDM4ETSHRALDH1A1MAPT
SCHEMBL4054230 0.72 ALDH1A1 (0.38) CNR1CNR2POLBKDM4EALDH1A1
SCHEMBL4055361 0.72 CNR1 (0.37) CNR1CNR2KDM4EALDH1A1MAPT
SCHEMBL2050633 0.72 CNR1 (0.69) CNR1CNR2GSK3BCCNB2PRKCB
SCHEMBL2053367 0.71 CNR1 (0.68) CNR1CNR2TSHRMAPTL3MBTL1
SCHEMBL4053254 0.70 CNR1 (0.47) CNR1CNR2GSK3BCCNB2PRKCB
SCHEMBL20688482 0.69 HTR6 (0.52) CNR1CNR2KDM4EALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622480-B2 Selective H1 histamine receptor antagonists; bronchial asthma, allergic rhinitis, conjunctivitis, dermatitis, urticaria and other allergic diseases; e.g. 3-(4-[1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-ylmethyl)benzoic acid LABORATORIOS ALMIRALL S.A. (ES) 2009-11-24 US disclosed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 CNR1 99/4885CNR2 88/4885GSK3B 4611/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.